59938-06-6

Basic information

• Product Name: 1-Ethoxy-3-trifluoromethyl-1,3-butadiene
• Synonyms: 1-Ethoxy-3-trifluoromethyl-1,3-butadiene;(3E)-4-Ethoxy-1,1,1-trifluoro-3-buten-2-one;trans-4-Ethoxy-1,1,1-trifluoro-3-butene-2-one;(3E)-4-ethoxy-1,1,1-trifluorobut-3-en-2-one, E;4-ethoxy-1,1,1-trifluoro-3-butene-2-one
• CAS NO: 59938-06-6
• Molecular Formula: C₆H₇F₃O₂
• Molecular Weight: 166.141
• Mol File: 59938-06-6.mol
• Article Data: 98

Chemical Properties

• Boiling Point: 105℃
• Flash Point: 18℃
• Appearance: /
• Density: 1.191
• Vapor Pressure: 3.63mmHg at 25°C
• Refractive Index: 1.383
• CAS DataBase Reference: 1-Ethoxy-3-trifluoromethyl-1,3-butadiene(CAS DataBase Reference)
• NIST Chemistry Reference: 1-Ethoxy-3-trifluoromethyl-1,3-butadiene(59938-06-6)
• EPA Substance Registry System: 1-Ethoxy-3-trifluoromethyl-1,3-butadiene(59938-06-6)

Safety Data

• Hazardous Substances Data: 59938-06-6(Hazardous Substances Data)

Usage

Flammability and Explosibility

Flammable

InChI:InChI=1/C7H9F3O/c1-3-11-5-4-6(2)7(8,9)10/h4-5H,2-3H2,1H3/b5-4+

Upstream product

• 17128-99-3 2-(difluoro-nitro-methyl)-4-ethoxy-2-trifluoromethyl-oxetane 
• 354-32-5 trifluoracetyl chloride 
• 109-92-2 ethyl vinyl ether 
• 109-93-3 1,1'-oxybisethene 
• 407-25-0 trifluoroacetic anhydride 
• 1095142-49-6 4-chloro-4-ethoxy-1,1,1-trifluoro-3-butan-2-one 
• 76-05-1 trifluoroacetic acid 
• 421-50-1 1,1,1-trifluoro-2-propanone 
• 109-94-4 formic acid ethyl ester 
• 122-51-0 orthoformic acid triethyl ester 
• 354-34-7 trifluoroacetyl fluoride 
• 400-36-2 trifluoroacetylacetic acid 
• 17129-03-2 4-ethoxy-1,1-difluoro-1-nitro-2-trifluoromethyl-but-3-en-2-ol 

Downstream Products

• 142991-64-8 (Z)-1,1,1-Trifluoro-4-(2-oxo-2-phenyl-ethylamino)-but-3-en-2-one 
• 538308-78-0 4-(ethylamino)-1,1,1-trifluoro-3-buten-2-one 
• 142991-63-7 Phenyl-((Z)-4,4,4-trifluoro-3-oxo-but-1-enylamino)-acetic acid ethyl ester 
• 136547-18-7 4-trifluoromethyl-2-N-(4-N'-acetylaminophenylsulfo)aminopyrimidine 
• 120417-45-0 4-amino-1,1,1-trifluoro-3-butene-2-one 
• 6192-01-4 (E)-3-ethoxyprop-2-enoic acid 
• 120417-45-0 4-amino-1,1,1-trifluoro-3-buten-2-one 
• 136547-16-5 4-(trifluoromethyl)pyrimidine 
• 136547-17-6 4-trifluoromethyl-2-mercaptopyrimidine 
• 153085-15-5 1-methyl-5-(trifluoromethyl)-1H-pyrazole 
• 127223-88-5 (Z)-4-(N-methylamino)-1,1,1-trifluorobut-3-en-2-one 
• 170118-69-1 (3S,R_S)-(E)-1-ethoxy-3-trifluoromethyl-3-hydroxy-4-(4-methylphenylsulfinyl)but-1-ene 

Relevant articles and documents

Regioselective synthesis of 2-acetyl- and 2-alkoxycarbonyl-3- (trifluoromethyl)phenols by [3+3] cyclization of 1,3-bis-silyl enol ethers with 4-ethoxy- and 4-silyloxy-1,1,1-trifluoroalk-3-en-2-ones

2-Acetyl- and 2-alkoxycarbonyl-3-(trifluoromethyl)phenols were prepared by [3+3] cyclization of 1,3-bis-silyl enol ethers with 4-ethoxy- and 4-silyloxy-1,1,1-trifluoroalk-3-en-2-ones.

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Continuous preparation method of trifluoromethyl butenone derivative

The invention discloses a continuous preparation method of a trifluoromethyl butenone derivative. The continuous preparation method is characterized in that a raw material 1 as shown in a structure (I) in a reaction formula and trifluoroacetyl halide serving as a raw material 2 react in a microchannel reactor to prepare the trifluoromethyl butenone derivative as shown in a structure (II). The structure (I) and the structure (II) are as described in the specification. In the structure (I) and the structure (II), R is an electron donating group and can be conjugated with olefin double bonds; R1 and R2 are independently selected from hydrogen, C1-C20 alkyl groups, aryl groups, and substituted aryl groups or silyl groups; and X is halogen and is selected from fluorine, chlorine, bromine and iodine. The method has the advantages of good process universality, good atom economy, high yield, few byproducts, high product purity and the like.

KRAS G12C Mutant protein inhibitor and pharmaceutical composition thereof Preparation method and application

The present invention provides compounds having irreversible inhibitor activity G12C mutant KRAS protein, racemates, stereoisomers, pharmaceutically acceptable salts, polymorphs or solvates thereof, the structure of which is shown in formula (I). Also provided are methods related to the preparation and use of such compounds, pharmaceutical compositions comprising such compounds, and methods of modulating G12C mutant KRAS protein activity for treatment of disorders such as cancer.

Preparation method of N-(2-methoxycarbonyl vinyl)-4, 4, 4-trifluoro-3-ketone-1-buteneamine

The invention belongs to the technical field of medicine synthesis, and particularly relates to a preparation method of N-(2-methoxycarbonyl vinyl)-4, 4, 4-trifluoro-3-ketone-1-buteneamine, and the preparation method of N-(2-methoxycarbonyl vinyl)-4, 4, 4-trifluoro-3-ketone-1-buteneamine comprises the following steps: taking trifluoroacetic acid, vinyl ethyl ether, methylsulfonyl chloride and pyridine as raw materials, firstly preparing 4-ethoxy-1, 1, 1-trifluoro-3-butene-2-ketone, carrying out ammonia ammoniation to obtain 4-amino-1, 1, 1-trifluoro-3-butene-2-ketone, then, under the action of sodium hydroxide, reacting with methyl 3-methoxyacrylate to obtain a target product N-(2-methoxycarbonyl vinyl)-4, 4, 4-trifluoro-3-ketone-1-buteneamine. The adopted raw materials are relatively cheap and easy to obtain, and the method is easy and convenient to operate, safe, feasible, high in cost performance and suitable for industrial production.